SCHEMBL9459846

SCHEMBL9459846

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(O)Oc1ccc(C[n+]2cccc3ccccc32)cc1)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
RGS12 O14924 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9459504 1.00 KDM4E (0.34) KDM4EMEN1RGS12NPC1USP2
SCHEMBL9459714 0.93 GMNN (0.40) USP2LMNA
SCHEMBL9458984 0.93 GMNN (0.40) USP2LMNA
SCHEMBL9459423 0.92 BCHE (0.36)
SCHEMBL9459536 0.92 BCHE (0.36)
SCHEMBL9459399 0.86 GMNN (0.36) USP2LMNA
SCHEMBL9459520 0.86 GMNN (0.36) USP2LMNA
SCHEMBL9459338 0.85
SCHEMBL9460220 0.85
SCHEMBL9459551 0.84 BCHE (0.36)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234918-A For cardiovascular, respiratory, carcinogenic and inflammatory disorders AMERICAN CYANAMID COMPANY (US) 1993-08-10 US disclosed
US-5215975-A Certain hydroxy-phosphinyl-oxy-phenyl methyl-thiazolium hydroxide inner salts as PAF antagonists AMERICAN CYANAMID COMPANY (US) 1993-06-01 US disclosed